3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane

C18H36O4Si — CID 21267597

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
SMILESCCCO[Si](CCCC1CCC2OC2C1)(OCCC)OCCC
InChIInChI=1S/C18H36O4Si/c1-4-11-19-23(20-12-5-2,21-13-6-3)14-7-8-16-9-10-17-18(15-16)22-17/h16-18H,4-15H2,1-3H3
InChIKeyYXYCGBBZGQNOFX-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.55
Rot. Bonds13

About 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane

3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane (PubChem CID 21267597) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
PubChem CID21267597
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
SMILESCCCO[Si](CCCC1CCC2OC2C1)(OCCC)OCCC
InChIInChI=1S/C18H36O4Si/c1-4-11-19-23(20-12-5-2,21-13-6-3)14-7-8-16-9-10-17-18(15-16)22-17/h16-18H,4-15H2,1-3H3
InChIKeyYXYCGBBZGQNOFX-UHFFFAOYSA-N
XLogP4.55
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane (CID 21267597) is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane is CCCO[Si](CCCC1CCC2OC2C1)(OCCC)OCCC.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane?
The InChIKey is YXYCGBBZGQNOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-4-11-19-23(20-12-5-2,21-13-6-3)14-7-8-16-9-10-17-18(15-16)22-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane?
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane has a molecular weight of 344.57 g/mol, XLogP of 4.55, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane is sourced from PubChem (CID 21267597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).